methyl 4-methyl-3-{[(prop-2-en-1-yl)carbamothioyl]amino}benzoate
Chemical Structure Depiction of
methyl 4-methyl-3-{[(prop-2-en-1-yl)carbamothioyl]amino}benzoate
methyl 4-methyl-3-{[(prop-2-en-1-yl)carbamothioyl]amino}benzoate
Compound characteristics
| Compound ID: | Y503-3879 |
| Compound Name: | methyl 4-methyl-3-{[(prop-2-en-1-yl)carbamothioyl]amino}benzoate |
| Molecular Weight: | 264.34 |
| Molecular Formula: | C13 H16 N2 O2 S |
| Smiles: | Cc1ccc(cc1NC(NCC=C)=S)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 2.5703 |
| logD: | 2.5703 |
| logSw: | -2.8517 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 40.972 |
| InChI Key: | MYUHUPNHWARSMN-UHFFFAOYSA-N |